1-(3-hydroxybutyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea

C13H21N3O2 — CID 109399192

IUPAC1-(3-hydroxybutyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
SMILESCc1cnccc1CCNC(=O)NCCC(C)O
InChIInChI=1S/C13H21N3O2/c1-10-9-14-6-4-12(10)5-8-16-13(18)15-7-3-11(2)17/h4,6,9,11,17H,3,5,7-8H2,1-2H3,(H2,15,16,18)
InChIKeyHTVVJJJKDYSNBR-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.00
Rot. Bonds6

About 1-(3-hydroxybutyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea

1-(3-hydroxybutyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea (PubChem CID 109399192) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(3-hydroxybutyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea.

Molecular Properties

Compound Name1-(3-hydroxybutyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
PubChem CID109399192
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-(3-hydroxybutyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
SMILESCc1cnccc1CCNC(=O)NCCC(C)O
InChIInChI=1S/C13H21N3O2/c1-10-9-14-6-4-12(10)5-8-16-13(18)15-7-3-11(2)17/h4,6,9,11,17H,3,5,7-8H2,1-2H3,(H2,15,16,18)
InChIKeyHTVVJJJKDYSNBR-UHFFFAOYSA-N
XLogP1.00
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-hydroxypentan-2-yl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 109398845
1-(1-hydroxy-4-methylpentan-2-yl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 109399207
4-hydroxy-N-[(3-methyl-4-pyridinyl)methyl]pentanamide
CID 114701979
1-[[4-(dimethylamino)-2-methylphenyl]methyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 75389175
1-(2-hydroxycyclohexyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 109399173
1-(3-fluoro-4-pyridinyl)-3-(3-hydroxybutyl)urea
CID 75522495
1-ethyl-2-(2-methylpropyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine
CID 109401423
trans-(1S,3S)-3-[2-(3-methyl-4-pyridinyl)ethylcarbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 97242772
1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 109399204
1-[(2R)-2-(2-chlorophenyl)-2-hydroxypropyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 97308686
1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 84599314
1-[4-(methoxymethoxy)phenyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 126831662

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxybutyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea?
The IUPAC name of 1-(3-hydroxybutyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea (CID 109399192) is 1-(3-hydroxybutyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea.
What is the SMILES notation for 1-(3-hydroxybutyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea?
The canonical SMILES for 1-(3-hydroxybutyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea is Cc1cnccc1CCNC(=O)NCCC(C)O.
What is the InChIKey of 1-(3-hydroxybutyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea?
The InChIKey is HTVVJJJKDYSNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10-9-14-6-4-12(10)5-8-16-13(18)15-7-3-11(2)17/h4,6,9,11,17H,3,5,7-8H2,1-2H3,(H2,15,16,18).
What are the key properties of 1-(3-hydroxybutyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea?
1-(3-hydroxybutyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea has a molecular weight of 251.33 g/mol, XLogP of 1.00, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxybutyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea is sourced from PubChem (CID 109399192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).